(2,3-dihexyl-6-nonylphenyl)methanamine

C28H51N — CID 161402444

IUPAC(2,3-dihexyl-6-nonylphenyl)methanamine
SMILESCCCCCCCCCc1ccc(CCCCCC)c(CCCCCC)c1CN
InChIInChI=1S/C28H51N/c1-4-7-10-13-14-15-17-20-26-23-22-25(19-16-11-8-5-2)27(28(26)24-29)21-18-12-9-6-3/h22-23H,4-21,24,29H2,1-3H3
InChIKeyZMFFREOSJDEGPU-UHFFFAOYSA-N
MW401.72 g/mol
LogP8.68
Rot. Bonds19

About (2,3-dihexyl-6-nonylphenyl)methanamine

(2,3-dihexyl-6-nonylphenyl)methanamine (PubChem CID 161402444) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is (2,3-dihexyl-6-nonylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dihexyl-6-nonylphenyl)methanamine
PubChem CID161402444
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC Name(2,3-dihexyl-6-nonylphenyl)methanamine
SMILESCCCCCCCCCc1ccc(CCCCCC)c(CCCCCC)c1CN
InChIInChI=1S/C28H51N/c1-4-7-10-13-14-15-17-20-26-23-22-25(19-16-11-8-5-2)27(28(26)24-29)21-18-12-9-6-3/h22-23H,4-21,24,29H2,1-3H3
InChIKeyZMFFREOSJDEGPU-UHFFFAOYSA-N
XLogP8.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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[2,3,4-tri(nonyl)phenyl]phosphane
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1-iodo-2,3,4-tri(nonyl)benzene
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azane;1-(chloromethyl)-2,3,4-trioctadecylbenzene
CID 87573745
3,4,9,10-tetradodecylpicene
CID 58426518
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687

Frequently Asked Questions

What is the IUPAC name of (2,3-dihexyl-6-nonylphenyl)methanamine?
The IUPAC name of (2,3-dihexyl-6-nonylphenyl)methanamine (CID 161402444) is (2,3-dihexyl-6-nonylphenyl)methanamine.
What is the SMILES notation for (2,3-dihexyl-6-nonylphenyl)methanamine?
The canonical SMILES for (2,3-dihexyl-6-nonylphenyl)methanamine is CCCCCCCCCc1ccc(CCCCCC)c(CCCCCC)c1CN.
What is the InChIKey of (2,3-dihexyl-6-nonylphenyl)methanamine?
The InChIKey is ZMFFREOSJDEGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-4-7-10-13-14-15-17-20-26-23-22-25(19-16-11-8-5-2)27(28(26)24-29)21-18-12-9-6-3/h22-23H,4-21,24,29H2,1-3H3.
What are the key properties of (2,3-dihexyl-6-nonylphenyl)methanamine?
(2,3-dihexyl-6-nonylphenyl)methanamine has a molecular weight of 401.72 g/mol, XLogP of 8.68, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihexyl-6-nonylphenyl)methanamine is sourced from PubChem (CID 161402444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).